SCHEMBL2137336

SCHEMBL2137336

C[Si](C)(C)CCOCOc1ccc(C#N)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.43
CYP11B2 P19099 3/20 0.43
CYP11B1 P15538 2/20 0.43
NSD2 O96028 1/20 0.42
NSD3 Q9BZ95 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
SLC22A12 Q96S37 2/20 0.38
TRPV4 Q9HBA0 3/20 0.38
PGR P06401 3/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2131770 0.85 MRGPRX4 (0.43) ARCYP11B2CYP11B1MRGPRX4SLC22A12
SCHEMBL2131444 0.84 CYP11B1 (0.44) CYP11B2CYP11B1SLC22A12TRPV4
SCHEMBL23216195 0.83 KDM4E (0.45)
SCHEMBL29512405 0.83 KDM4E (0.45)
SCHEMBL2136129 0.83 GLA (0.37) ARCYP11B2CYP11B1MRGPRX4PGR
SCHEMBL2133211 0.79 ALDH1A1 (0.45)
SCHEMBL31162985 0.79 MAPT (0.39)
SCHEMBL19284539 0.79 HSP90AB1 (0.34)
SCHEMBL26091116 0.78 MAOB (0.35) NSD2NSD3PGR
SCHEMBL16355981 0.77 KDM4E (0.34)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445892-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
WO-2010148650-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 AR 1563/4885CYP11B2 427/4885CYP11B1 320/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.